methylsulfonyl 3-[bis(azanyl)methylidenecarbamoyl]-5-(2-cyanopyrrol-1-yl)benzoate

Systemtic Name: methylsulfonyl 3-[bis(azanyl)methylidenecarbamoyl]-5-(2-cyanopyrrol-1-yl)benzoate Openeye Name: methylsulfonyl 3-(2-cyanopyrrol-1-yl)-5-(diaminomethylenecarbamoyl)benzoate CAS Name: 3-(2-cyano-1-pyrrolyl)-5-[(diaminomethylideneamino)-oxomethyl]benzoic acid methylsulfonyl ester IUPAC Name: methylsulfonyl 3-(2-cyanopyrrol-1-yl)-5-(diaminomethylidenecarbamoyl)benzoate Traditional Name: 3-(2-cyanopyrrol-1-yl)-5-(diaminomethylenecarbamoyl)benzoic acid mesyl ester Formula: C15H13N5O5S MolecularWeight: 375.35922

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(=O)C1=CC(=CC(=C1)C(=O)N=C(N)N)N2C=CC=C2C#N

Isomeric SMILES

CS(=O)(=O)OC(=O)C1=CC(=CC(=C1)C(=O)N=C(N)N)N2C=CC=C2C#N

InChI

InChI=1S/C15H13N5O5S/c1-26(23,24)25-14(22)10-5-9(13(21)19-15(17)18)6-12(7-10)20-4-2-3-11(20)8-16/h2-7H,1H3,(H4,17,18,19,21)